9MN
Summary
| Name: | (2~{S})-2-azanyl-6-(6-bromanylhexanoylamino)hexanoic acid |
| Formula: | C12 H23 Br N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 323.227 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-6-(6-bromanylhexanoylamino)hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H23BrN2O3/c13-8-4-1-2-7-11(16)15-9-5-3-6-10(14)12(17)18/h10H,1-9,14H2,(H,15,16)(H,17,18)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | KKHAIVMNFGJZBU-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCNC(=O)CCCCCBr)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCNC(=O)CCCCCBr)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(CCC(=O)NCCCC[C@@H](C(=O)O)N)CCBr |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(CCC(=O)NCCCCC(C(=O)O)N)CCBr |
